Ethyl 4-(2-aminopyridin-5-yl)benzoate - CAS 1314987-69-3
Catalog: |
BB065894 |
Product Name: |
Ethyl 4-(2-aminopyridin-5-yl)benzoate |
CAS: |
1314987-69-3 |
Synonyms: |
Ethyl 4-(6-aminopyridin-3-yl)benzoate; Ethyl 4-(2-aminopyridin-5-yl)benzoate; Ethyl4-(6-aminopyridin-3-yl)benzoate |
IUPAC Name: | ethyl 4-(6-aminopyridin-3-yl)benzoate |
Description: | Ethyl 4-(2-aminopyridin-5-yl)benzoate |
Molecular Weight: | 242.27 |
Molecular Formula: | C14H14N2O2 |
Canonical SMILES: | CCOC(=O)C1=CC=C(C=C1)C2=CN=C(C=C2)N |
InChI: | InChI=1S/C14H14N2O2/c1-2-18-14(17)11-5-3-10(4-6-11)12-7-8-13(15)16-9-12/h3-9H,2H2,1H3,(H2,15,16) |
InChI Key: | PVTSDRPHLCKQHO-UHFFFAOYSA-N |
Complexity: | 275 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.105527694 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.105527694 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 65.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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